A one-dimensional cobalt(II) coordination polymer based on 2,4′-oxydi­benzoic acid: poly[[[di­aqua­bis­[2-(4-carb­oxy­phen­oxy)benzoato-κO¹]cobalt(II)]-μ-4,4′-bi­pyridine-κ²N:N′] dihydrate]

The reaction of CoSO₄ with 2,4-oxydi­benzoic acid (H₂oba) and 4,4′-bi­pyridine (bipy) under hydro­thermal condition yielded a new one-dimensional cobalt(II) coordination poly­mer, {[Co(C₁₄H₉O₅)₂(C₁₀H₈N₂)(H₂O)₂]·2H₂O}_n, which was characterized by elemental analysis, IR spectroscopy, thermogravimetric analysis, magnetic properties and single-crystal X-ray diffraction. The Co^II ions are connected by bipy ligands into infinite one-dimensional chains. The Hoba⁻ ligands extend out from the two sides of the one-dimensional chain. O—H...O hydrogen bonding extends these chains into a two-dimensional supra­molecular architecture.

Computing details

Data collection: SMART (Bruker, 2000); cell refinement: SAINT (Bruker, 2000); data reduction: SAINT (Bruker, 2000); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: DIAMOND (Brandenburg, 1999); software used to prepare material for publication: SHELXTL (Bruker, 2000).

Poly[[[diaquabis[2-(4-carboxyphenoxy)benzoato-κO¹]cobalt(II)]-µ-4,4'-bipyridine-κ²N:N'] dihydrate]

Crystal data

[Co(C14H9O5)2(C10H8N2)(H2O)2]·2H2O	Z = 2
Mr = 801.60	F(000) = 830
Monoclinic, P2/n	Dx = 1.453 Mg m^−3
a = 12.3557 (10) Å	Mo Kα radiation, λ = 0.71073 Å
b = 11.3518 (9) Å	µ = 0.54 mm^−1
c = 13.6847 (11) Å	T = 296 K
β = 107.283 (1)°	Block, red
V = 1832.7 (3) Å^3	0.35 × 0.28 × 0.26 mm

Data collection

Bruker SMART diffractometer	3230 independent reflections
Radiation source: fine-focus sealed tube	2915 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.019
φ and ω scans	θmax = 25.0°, θmin = 2.4°
Absorption correction: multi-scan (SADABS; Bruker, 2000)	h = −14→14
Tmin = 0.657, Tmax = 0.746	k = −13→10
8755 measured reflections	l = −16→12

Refinement

Refinement on F^2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F^2 > 2σ(F^2)] = 0.031	Hydrogen site location: inferred from neighbouring sites
wR(F^2) = 0.085	H atoms treated by a mixture of independent and constrained refinement
S = 1.06	w = 1/[σ^2(Fo^2) + (0.0404P)^2 + 0.9833P] where P = (Fo^2 + 2Fc^2)/3
3230 reflections	(Δ/σ)max = 0.001
265 parameters	Δρmax = 0.31 e Å^−3
0 restraints	Δρmin = −0.27 e Å^−3

Special details

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Refinement. Refinement of F² against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F², conventional R-factors R are based on F, with F set to zero for negative F². The threshold expression of F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F² are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq
N2	0.7500	−0.16227 (17)	0.7500	0.0320 (5)
C20	0.7139 (2)	−0.10090 (17)	0.81741 (16)	0.0443 (5)
H20	0.6873	−0.1420	0.8644	0.053*
Co1	0.7500	0.64962 (3)	0.7500	0.02490 (12)
N1	0.7500	0.46019 (17)	0.7500	0.0290 (4)
O1	0.70915 (10)	0.64978 (10)	0.58866 (9)	0.0299 (3)
C18	0.7500	0.0836 (2)	0.7500	0.0294 (5)
C17	0.7500	0.2143 (2)	0.7500	0.0293 (5)
C2	0.61027 (15)	0.66629 (16)	0.41257 (13)	0.0309 (4)
O7	0.92158 (11)	0.65737 (13)	0.75542 (10)	0.0367 (3)
H7A	0.9613	0.6583	0.8153	0.055*
O9	0.90140 (14)	0.57344 (17)	0.54891 (13)	0.0503 (4)
O3	0.57241 (14)	0.87277 (12)	0.39827 (13)	0.0535 (4)
O5	0.83325 (15)	1.35871 (14)	0.43478 (17)	0.0707 (6)
C16	0.81380 (17)	0.27720 (16)	0.83400 (14)	0.0379 (4)
H16	0.8573	0.2380	0.8921	0.045*
O2	0.52367 (13)	0.67946 (19)	0.54436 (11)	0.0674 (5)
C1	0.61371 (15)	0.66697 (15)	0.52376 (13)	0.0312 (4)
C15	0.81220 (17)	0.39818 (16)	0.83058 (14)	0.0377 (4)
H15	0.8566	0.4392	0.8871	0.045*
C11	0.79155 (19)	1.15447 (17)	0.41681 (16)	0.0425 (5)
O4	0.97231 (14)	1.23519 (15)	0.43775 (16)	0.0648 (5)
H4	1.0088	1.2965	0.4437	0.097*
C7	0.58957 (17)	0.76693 (17)	0.35348 (15)	0.0385 (4)
C3	0.62544 (18)	0.56108 (18)	0.36651 (16)	0.0425 (5)
H3	0.6412	0.4926	0.4054	0.051*
C14	0.86630 (19)	1.25979 (19)	0.43000 (17)	0.0466 (5)
C10	0.83089 (19)	1.04026 (19)	0.41152 (18)	0.0487 (5)
H10	0.9059	1.0282	0.4135	0.058*
C4	0.6174 (2)	0.5568 (2)	0.26409 (18)	0.0542 (6)
H4A	0.6277	0.4858	0.2341	0.065*
C19	0.7142 (2)	0.02012 (17)	0.82090 (16)	0.0451 (5)
H19	0.6904	0.0591	0.8707	0.054*
C9	0.7593 (2)	0.94461 (19)	0.40343 (18)	0.0501 (5)
H9	0.7858	0.8686	0.3999	0.060*
C8	0.64794 (18)	0.96330 (17)	0.40065 (16)	0.0426 (5)
C12	0.67954 (19)	1.17045 (18)	0.41297 (19)	0.0495 (5)
H12	0.6523	1.2464	0.4156	0.059*
C13	0.60725 (19)	1.07601 (18)	0.40529 (19)	0.0492 (5)
H13	0.5321	1.0880	0.4033	0.059*
C6	0.5804 (2)	0.7630 (2)	0.25032 (18)	0.0581 (6)
H6	0.5651	0.8313	0.2111	0.070*
C5	0.5942 (2)	0.6577 (3)	0.20625 (17)	0.0641 (7)
H5	0.5877	0.6546	0.1368	0.077*
H9A	0.838 (3)	0.598 (3)	0.547 (2)	0.074 (9)*
H9B	0.893 (2)	0.517 (3)	0.514 (2)	0.058 (8)*
H7B	0.946 (3)	0.606 (3)	0.733 (3)	0.095 (12)*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
N2	0.0431 (12)	0.0190 (10)	0.0330 (11)	0.000	0.0097 (10)	0.000
C20	0.0715 (14)	0.0234 (9)	0.0468 (11)	−0.0002 (9)	0.0309 (11)	0.0023 (8)
Co1	0.02896 (19)	0.01712 (17)	0.02670 (18)	0.000	0.00534 (13)	0.000
N1	0.0327 (11)	0.0193 (10)	0.0313 (11)	0.000	0.0037 (9)	0.000
O1	0.0307 (6)	0.0290 (6)	0.0278 (6)	0.0007 (5)	0.0054 (5)	−0.0003 (5)
C18	0.0334 (13)	0.0194 (12)	0.0314 (13)	0.000	0.0036 (10)	0.000
C17	0.0324 (13)	0.0180 (11)	0.0360 (13)	0.000	0.0080 (10)	0.000
C2	0.0281 (9)	0.0346 (10)	0.0284 (9)	−0.0034 (7)	0.0061 (7)	−0.0012 (7)
O7	0.0339 (7)	0.0407 (8)	0.0340 (7)	−0.0002 (6)	0.0080 (6)	−0.0038 (6)
O9	0.0393 (9)	0.0542 (10)	0.0601 (10)	−0.0055 (7)	0.0188 (8)	−0.0148 (8)
O3	0.0628 (10)	0.0311 (7)	0.0803 (11)	−0.0018 (7)	0.0422 (9)	0.0027 (7)
O5	0.0579 (11)	0.0354 (9)	0.1212 (17)	−0.0016 (7)	0.0303 (11)	−0.0065 (9)
C16	0.0470 (11)	0.0236 (9)	0.0342 (10)	0.0045 (8)	−0.0017 (8)	0.0022 (7)
O2	0.0362 (8)	0.1331 (17)	0.0327 (8)	0.0259 (9)	0.0097 (7)	0.0087 (9)
C1	0.0334 (10)	0.0298 (9)	0.0283 (9)	0.0039 (7)	0.0058 (8)	0.0008 (7)
C15	0.0463 (11)	0.0237 (9)	0.0337 (10)	0.0013 (8)	−0.0023 (8)	−0.0036 (7)
C11	0.0477 (12)	0.0349 (11)	0.0476 (12)	0.0018 (9)	0.0184 (10)	0.0024 (8)
O4	0.0516 (10)	0.0474 (9)	0.1029 (14)	−0.0038 (7)	0.0343 (10)	−0.0084 (9)
C7	0.0404 (10)	0.0366 (10)	0.0406 (10)	−0.0016 (8)	0.0151 (9)	0.0024 (8)
C3	0.0492 (12)	0.0360 (11)	0.0447 (11)	−0.0047 (9)	0.0178 (9)	−0.0060 (8)
C14	0.0486 (12)	0.0409 (12)	0.0528 (13)	0.0009 (9)	0.0191 (10)	−0.0010 (9)
C10	0.0452 (12)	0.0420 (12)	0.0652 (14)	0.0046 (9)	0.0259 (11)	−0.0027 (10)
C4	0.0593 (14)	0.0589 (14)	0.0499 (13)	−0.0201 (11)	0.0247 (11)	−0.0245 (11)
C19	0.0737 (15)	0.0235 (9)	0.0462 (11)	0.0015 (9)	0.0300 (11)	−0.0024 (8)
C9	0.0568 (13)	0.0319 (11)	0.0684 (15)	0.0084 (9)	0.0291 (12)	0.0000 (10)
C8	0.0515 (12)	0.0320 (10)	0.0501 (12)	0.0011 (9)	0.0239 (10)	0.0055 (9)
C12	0.0502 (13)	0.0311 (10)	0.0705 (15)	0.0080 (9)	0.0233 (11)	0.0040 (10)
C13	0.0442 (12)	0.0367 (11)	0.0715 (15)	0.0062 (9)	0.0244 (11)	0.0067 (10)
C6	0.0671 (15)	0.0666 (16)	0.0431 (12)	0.0002 (12)	0.0204 (11)	0.0196 (11)
C5	0.0721 (17)	0.092 (2)	0.0312 (11)	−0.0168 (14)	0.0195 (11)	−0.0086 (12)

Geometric parameters (Å, º)

Co1—O7	2.1010 (14)	C2—C3	1.389 (3)
Co1—O1	2.1136 (12)	C2—C1	1.510 (2)
Co1—N2^i	2.1354 (19)	O3—C8	1.382 (2)
Co1—N1	2.1504 (19)	O3—C7	1.393 (2)
N2—C20	1.334 (2)	O5—C14	1.203 (3)
N2—C20^ii	1.334 (2)	C16—C15	1.374 (3)
N2—Co1^iii	2.1354 (19)	O2—C1	1.234 (2)
C20—C19	1.375 (3)	C11—C12	1.381 (3)
Co1—O7^ii	2.1010 (14)	C11—C10	1.394 (3)
Co1—O1^ii	2.1136 (12)	C11—C14	1.489 (3)
N1—C15^ii	1.341 (2)	O4—C14	1.312 (3)
N1—C15	1.341 (2)	C7—C6	1.383 (3)
O1—C1	1.263 (2)	C3—C4	1.376 (3)
C18—C19	1.383 (2)	C10—C9	1.384 (3)
C18—C19^ii	1.383 (2)	C4—C5	1.373 (4)
C18—C17	1.484 (3)	C9—C8	1.381 (3)
C17—C16	1.384 (2)	C8—C13	1.383 (3)
C17—C16^ii	1.384 (2)	C12—C13	1.379 (3)
C2—C7	1.379 (3)	C6—C5	1.372 (4)
O7—Co1—O7^ii	175.20 (8)	C7—C2—C1	122.11 (16)
O7—Co1—O1^ii	92.17 (5)	C3—C2—C1	119.65 (16)
O7—Co1—N2^i	87.60 (4)	C8—O3—C7	117.49 (15)
O1—Co1—N2^i	89.95 (3)	C15—C16—C17	119.26 (17)
O1—Co1—N1	90.05 (3)	O2—C1—O1	125.01 (17)
O7—Co1—O1	87.83 (5)	O2—C1—C2	118.26 (16)
O7—Co1—N1	92.40 (4)	O1—C1—C2	116.67 (15)
O1^ii—Co1—O1	179.90 (6)	N1—C15—C16	123.47 (17)
N2^i—Co1—N1	180	C12—C11—C10	118.75 (19)
C20—N2—C20^ii	117.0 (2)	C12—C11—C14	118.53 (18)
C20—N2—Co1^iii	121.49 (11)	C10—C11—C14	122.7 (2)
C20^ii—N2—Co1^iii	121.49 (11)	C2—C7—C6	121.1 (2)
N2—C20—C19	123.25 (19)	C2—C7—O3	118.84 (17)
O7^ii—Co1—O1^ii	87.83 (5)	C6—C7—O3	120.01 (19)
O7^ii—Co1—O1	92.17 (5)	C4—C3—C2	120.9 (2)
O7^ii—Co1—N2^i	87.60 (4)	O5—C14—O4	122.7 (2)
O1^ii—Co1—N2^i	89.95 (3)	O5—C14—C11	123.2 (2)
O7^ii—Co1—N1	92.40 (4)	O4—C14—C11	114.03 (18)
O1^ii—Co1—N1	90.05 (3)	C9—C10—C11	120.6 (2)
C15^ii—N1—C15	116.7 (2)	C5—C4—C3	119.8 (2)
C15^ii—N1—Co1	121.66 (10)	C20—C19—C18	119.62 (19)
C15—N1—Co1	121.66 (11)	C8—C9—C10	119.31 (19)
C1—O1—Co1	128.17 (11)	C9—C8—O3	123.12 (18)
C19—C18—C19^ii	117.2 (2)	C9—C8—C13	120.9 (2)
C19—C18—C17	121.40 (11)	O3—C8—C13	115.90 (19)
C19^ii—C18—C17	121.40 (11)	C13—C12—C11	121.31 (19)
C16—C17—C16^ii	117.8 (2)	C12—C13—C8	119.1 (2)
C16—C17—C18	121.08 (11)	C5—C6—C7	119.6 (2)
C16^ii—C17—C18	121.08 (11)	C6—C5—C4	120.3 (2)
C7—C2—C3	118.22 (17)

Symmetry codes: (i) x, y+1, z; (ii) −x+3/2, y, −z+3/2; (iii) x, y−1, z.

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
O7—H7A···O2^ii	0.82	1.89	2.632 (2)	150
O7—H7B···O9	0.77 (3)	2.44 (3)	2.922 (2)	122 (3)
O9—H9A···O1	0.82 (3)	1.94 (3)	2.731 (2)	162 (3)
O9—H9B···O5^iii	0.78 (3)	2.12 (3)	2.883 (3)	165 (3)
O4—H4···O9^iv	0.82	1.83	2.649 (2)	175

Symmetry codes: (ii) −x+3/2, y, −z+3/2; (iii) x, y−1, z; (iv) −x+2, −y+2, −z+1.